Description

Methyl L-2-Isothiocyanato-3-Phenylpropionate CAS NO 21055-46-9 is a specialized chiral building block featuring both an isothiocyanate and an ester functional group. This compound is of significant value in organic synthesis, particularly for the preparation of thiourea derivatives and as a key intermediate in the synthesis of more complex, biologically active molecules. It is primarily utilized by research institutions and pharmaceutical companies engaged in medicinal chemistry, process development, and the synthesis of novel chemical entities.

Application

• Pharmaceutical Intermediate: A key chiral synthon for the development of potential drug candidates, especially in creating thiourea-based scaffolds with biological activity.
• Medicinal Chemistry Research: Used in high-throughput screening libraries and structure-activity relationship (SAR) studies to explore new therapeutic targets.
• Peptidomimetic Synthesis: Serves as a building block for constructing non-peptide analogs that mimic the structure and function of peptides.
• Ligand and Catalyst Development: Employed in the synthesis of chiral ligands and organocatalysts for asymmetric synthesis applications.
• Chemical Biology Probes: Useful for labeling or modifying biomolecules due to the reactive isothiocyanate group, which readily reacts with amines.
• Agrochemical Research: Investigated as an intermediate in the development of novel crop protection agents and pesticides.

Basic Information

Product Name	Methyl L-2-Isothiocyanato-3-Phenylpropionate
CAS No.	21055-46-9
Molecular Formula	C11H11NO2S
Molecular Weight	221.27 g/mol
Synonyms	L-Phenylalanine, N-isothiocyanato-, methyl ester; (S)-Methyl 2-isothiocyanato-3-phenylpropanoate; Methyl (S)-2-isothiocyanato-3-phenylpropionate; Methyl L-α-isothiocyanatobenzenepropanoate; NSC 334907; (S)-Methyl 2-isothiocyanato-3-phenylpropanoate; Methyl (S)-2-isothiocyanato-3-phenylpropanoate; L-2-Isothiocyanato-3-phenylpropionic Acid Methyl Ester
EINECS	Contact for details

Quality Control

Our Methyl L-2-Isothiocyanato-3-Phenylpropionate is manufactured under controlled conditions to ensure high chemical purity and chiral integrity. Each batch undergoes rigorous analytical testing, including chiral HPLC to confirm enantiomeric excess and identity confirmation by spectroscopic methods. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with every shipment to support your research and development requirements.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). Due to its hygroscopic nature, the container must be kept tightly sealed in a dry environment to prevent moisture absorption, which may affect stability and handling properties.

Specification

Item	Specification
Appearance	White to off-white crystalline powder or solid
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 97.0%
Chiral Purity (ee, HPLC)	≥ 98.0%
Melting Point	Contact for details
Loss on Drying	≤ 1.0%

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.